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Substance Name: Aplaviroc [INN]
RN: 461443-59-4
UNII: 98B425P30V
InChIKey: GWNOTCOIYUNTQP-FQLXRVMXSA-N

Note

  • A spiro-diketo-piperazine; a potent noncompetitive allosteric antagonist of the CCR5 receptor with concomitantly potent antiviral effects for HIV-1.

Molecular Formula

  • C33-H43-N3-O6

Molecular Weight

  • 577.7177
 
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Names and Synonyms

Name of Substance

  • Aplaviroc [INN]

Synonyms

  • AK 602
  • AK-602
  • Aplaviroc
  • GW 873140
  • GW873140
  • ONO 4128
  • UNII-98B425P30V

Systematic Name

  • Benzoic acid, 4-(4-(((3R)-1-butyl-3-((R)-cyclohexylhydroxymethyl)-2,5-dioxo-1,4,9-triazaspiro(55)undec-9-yl)methyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 461443-59-4

FDA UNII

  • 98B425P30V

Other Registry Numbers

  • 674782-28-6
  • 675184-11-9

System Generated Number

  • 0461443594

Structure Descriptors

InChI

1S/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1

InChIKey

GWNOTCOIYUNTQP-FQLXRVMXSA-N

Smiles

CCCCN1C(=O)[C@H](NC(=O)C21CCN(CC2)Cc1ccc(Oc2ccc(cc2)C(=O)O)cc1)[C@@H](C1CCCCC1)O